CID 199661

Piperidine, 1-(antipyrinylsulfonyl)-

Structural Information

Molecular Formula
C16H21N3O3S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)S(=O)(=O)N3CCCCC3
InChI
InChI=1S/C16H21N3O3S/c1-13-15(23(21,22)18-11-7-4-8-12-18)16(20)19(17(13)2)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKey
LBNFRZIJDKHVQI-UHFFFAOYSA-N
Compound name
1,5-dimethyl-2-phenyl-4-piperidin-1-ylsulfonylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.13037 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.137646 178.7
[M+Na]+ 358.119588 187.6
[M-H]- 334.123094 185.1
[M+NH4]+ 353.164193 190.8
[M+K]+ 374.093528 182.5
[M+H-H2O]+ 318.127630 170.1
[M+HCOO]- 380.128571 191.0
[M+CH3COO]- 394.144221 205.7
[M+Na-2H]- 356.105036 177.6
[M]+ 335.12982142 179.6
[M]- 335.13091858 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.